2-[(4-fluorophenyl)sulfonylamino]-N-(3-pyrrolidin-1-ylphenyl)benzamide

C23H22FN3O3S — CID 55815022

IUPAC2-[(4-fluorophenyl)sulfonylamino]-N-(3-pyrrolidin-1-ylphenyl)benzamide
SMILESO=C(Nc1cccc(N2CCCC2)c1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H22FN3O3S/c24-17-10-12-20(13-11-17)31(29,30)26-22-9-2-1-8-21(22)23(28)25-18-6-5-7-19(16-18)27-14-3-4-15-27/h1-2,5-13,16,26H,3-4,14-15H2,(H,25,28)
InChIKeyUBHTYFDUCHNABW-UHFFFAOYSA-N
MW439.51 g/mol
LogP4.48
Rot. Bonds6

About 2-[(4-fluorophenyl)sulfonylamino]-N-(3-pyrrolidin-1-ylphenyl)benzamide

2-[(4-fluorophenyl)sulfonylamino]-N-(3-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 55815022) has the molecular formula C23H22FN3O3S and a molecular weight of 439.51 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-N-(3-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-N-(3-pyrrolidin-1-ylphenyl)benzamide
PubChem CID55815022
Molecular FormulaC23H22FN3O3S
Molecular Weight439.51 g/mol
Exact Mass439.14
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-N-(3-pyrrolidin-1-ylphenyl)benzamide
SMILESO=C(Nc1cccc(N2CCCC2)c1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H22FN3O3S/c24-17-10-12-20(13-11-17)31(29,30)26-22-9-2-1-8-21(22)23(28)25-18-6-5-7-19(16-18)27-14-3-4-15-27/h1-2,5-13,16,26H,3-4,14-15H2,(H,25,28)
InChIKeyUBHTYFDUCHNABW-UHFFFAOYSA-N
XLogP4.48
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2332033
N-(3-benzamidophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 55869973
2-[(4-fluorophenyl)sulfonylamino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 2337095
N-(1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2336815
2-bromo-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 28987913
N-(3-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 44898444
5-acetamido-2-(methanesulfonamido)-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 56579334
N-[2-(aziridine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 2336130
2-(benzenesulfonamido)-N-(3,4-difluorophenyl)benzamide
CID 126415100
2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide;hydrochloride
CID 15945362
2-[(4-chlorophenyl)sulfonylamino]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 55519672
2-methyl-3-[(4-methylphenyl)sulfonylamino]-N-(4-piperidin-1-ylphenyl)benzamide
CID 100512380

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(3-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(3-pyrrolidin-1-ylphenyl)benzamide (CID 55815022) is 2-[(4-fluorophenyl)sulfonylamino]-N-(3-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-N-(3-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-N-(3-pyrrolidin-1-ylphenyl)benzamide is O=C(Nc1cccc(N2CCCC2)c1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-N-(3-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is UBHTYFDUCHNABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3S/c24-17-10-12-20(13-11-17)31(29,30)26-22-9-2-1-8-21(22)23(28)25-18-6-5-7-19(16-18)27-14-3-4-15-27/h1-2,5-13,16,26H,3-4,14-15H2,(H,25,28).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-N-(3-pyrrolidin-1-ylphenyl)benzamide?
2-[(4-fluorophenyl)sulfonylamino]-N-(3-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 439.51 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]-N-(3-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 55815022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).